1-(6-bromanyl-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone iodide

Systemtic Name: 1-(6-bromanyl-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone iodide Openeye Name: 1-(6-bromo-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone iodide CAS Name: 1-(6-bromo-1H-indol-3-yl)-2-(methylthio)-2-(1-piperidin-1-iumylidene)ethanone iodide IUPAC Name: 1-(6-bromo-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylideneethanone iodide Traditional Name: 1-(6-bromo-1H-indol-3-yl)-2-(methylthio)-2-piperidin-1-ium-1-ylidene-ethanone iodide Formula: C16H18BrIN2OS MolecularWeight: 493.20039

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=[N+]1CCCCC1)C(=O)C2=CNC3=C2C=CC(=C3)Br.[I-]

Isomeric SMILES

CSC(=[N+]1CCCCC1)C(=O)C2=CNC3=C2C=CC(=C3)Br.[I-]

InChI

InChI=1S/C16H17BrN2OS.HI/c1-21-16(19-7-3-2-4-8-19)15(20)13-10-18-14-9-11(17)5-6-12(13)14;/h5-6,9-10H,2-4,7-8H2,1H3;1H